N-[(Z)-hex-3-en-2-ylidene]methanimidamide

C7H12N2 — CID 166542116

IUPACN-[(Z)-hex-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C=C\CC
InChIInChI=1S/C7H12N2/c1-3-4-5-7(2)9-6-8/h4-6,8H,3H2,1-2H3/b5-4-,8-6+,9-7+
InChIKeyJLQLCTMVKCYXQY-YJTPIVBQSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds3

About N-[(Z)-hex-3-en-2-ylidene]methanimidamide

N-[(Z)-hex-3-en-2-ylidene]methanimidamide (PubChem CID 166542116) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-hex-3-en-2-ylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-hex-3-en-2-ylidene]methanimidamide
PubChem CID166542116
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-hex-3-en-2-ylidene]methanimidamide
SMILES[H]/N=C/N=C(C)/C=C\CC
InChIInChI=1S/C7H12N2/c1-3-4-5-7(2)9-6-8/h4-6,8H,3H2,1-2H3/b5-4-,8-6+,9-7+
InChIKeyJLQLCTMVKCYXQY-YJTPIVBQSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexa-2,4-dien-1-ylidenemethanimidamide
CID 21019563
4-N-methylcyclohexa-2,5-diene-1,4-diimine
CID 70148626
N-[(Z)-pent-3-en-2-ylidene]methanimidamide
CID 87693670
N-[(Z)-2-methylhex-4-en-3-ylidene]methanimidamide
CID 88580454
N-[(Z)-hex-3-enylidene]methanimidamide
CID 89283748
(Z)-5-N-methylhex-3-ene-2,5-diimine
CID 89591069
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
N-[(Z)-3-methylpent-3-en-2-ylidene]methanimidamide
CID 117804999
(Z)-1-N-methylpent-2-ene-1,4-diimine
CID 118133026
N-[(Z)-hept-2-en-4-ylidene]methanimidamide
CID 118327143
N-[(Z)-oct-2-en-4-ylidene]methanimidamide
CID 118327149
N-[(Z)-hex-4-en-3-ylidene]methanimidamide
CID 118327150

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-hex-3-en-2-ylidene]methanimidamide?
The IUPAC name of N-[(Z)-hex-3-en-2-ylidene]methanimidamide (CID 166542116) is N-[(Z)-hex-3-en-2-ylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-hex-3-en-2-ylidene]methanimidamide?
The canonical SMILES for N-[(Z)-hex-3-en-2-ylidene]methanimidamide is [H]/N=C/N=C(C)/C=C\CC.
What is the InChIKey of N-[(Z)-hex-3-en-2-ylidene]methanimidamide?
The InChIKey is JLQLCTMVKCYXQY-YJTPIVBQSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-4-5-7(2)9-6-8/h4-6,8H,3H2,1-2H3/b5-4-,8-6+,9-7+.
What are the key properties of N-[(Z)-hex-3-en-2-ylidene]methanimidamide?
N-[(Z)-hex-3-en-2-ylidene]methanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-hex-3-en-2-ylidene]methanimidamide is sourced from PubChem (CID 166542116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).